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11eg

Crystal Structure of L-erythrulose-1-phosphate isomerase from Brucella melitensis (P1 form)

Method: X-RAY DIFFRACTION D_max: 129.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11eg
deposition_date	2026-02-18
last_revision	2026-03-04
title	Crystal Structure of L-erythrulose-1-phosphate isomerase from Brucella melitensis (P1 form)
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, L-erythrulose-1-phosphate isomerase, ISOMERASE ;; ISOMERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	37.22 Å
rg_electron	36.90 Å
i0	180424000.00
molecular_weight	107790.0 kDa
excluded_volume	134500 Å³
envelope_volume	165320 Å³
shell_volume	38500 Å³
envelope_diameter	125.4 Å
shell_rg	41.37 Å
envelope_rg	36.62 Å
shape_rg	36.92 Å
total_rg	37.12 Å
total_atoms	7568
n_residues	985
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	129.4 Å
rg_real	37.45 Å
rg_real_error	1.51 Å
i0_real	1.8040e+08
i0_real_error	3.1200e+06
rg_reciprocal	37.31 Å
i0_reciprocal	180400000.0000
total_estimate	0.8513
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.8 Å
skewness	0.403
kurtosis	-0.507
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	51110000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.771; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.842; Smooth: 0.906

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	L-erythrulose-1-phosphate isomerase
formula_weight	28744.6 kDa
ec_number	5.3.1.33
mutation	A173D
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8783

MAHHHHHHKFWIGTSWKMNKTLAEARLFAEALKAADAGRSPDIQRFVIPPFTAVREVKEILSGTSVKVGAQNMHWADQGAWTGEISPLMLKDCNLDIVELGHSERREHFGETNETVGLKVEAAVRHGLIPLICIGETLEDRESGRAAAVLEEEVRGALSKLSEAQKQAEILFAYEPVWDIGENGIPASADYADARQAEIIAVAQSVLARRVPCLYGGSVNPGNCEELIACPHIDGLFIGRSAWNVEGYLDILARCATKVQAN

Source

organism	Brucella abortus 2308
ncbi_taxonomy_id	359391
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	10

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1086

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6. Citations (1)

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length_a	45.259 Å
length_b	49.359 Å
length_c	116.827 Å
angle_alpha	88.41 °
angle_beta	83.15 °
angle_gamma	86.23 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.600 Å
resolution_low	49.240 Å
r_factor	0.1568
r_work	0.1555
r_free	0.1828

fit	/app/data/saxs_computation/1e/11eg/11eg.fit
pddf	/app/data/pr_computation/1e/11eg/11eg.pr.out
profile	/app/data/saxs_computation/1e/11eg/11eg.dat

Crystal Structure of L-erythrulose-1-phosphate isomerase from Brucella melitensis (P1 form)

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction